Tecnazene

Base Information

• Chemical Name: Tecnazene
• CAS No.: 117-18-0
• Molecular Formula: C6H Cl4 N O2
• Molecular Weight: 260.891
• Hs Code.: 29049090
• European Community (EC) Number: 204-178-2
• NSC Number: 10235
• UNII: 02X6KNJ5EE
• DSSTox Substance ID: DTXSID0026098
• Nikkaji Number: J2.001J
• Wikipedia: 1,2,4,5-Tetrachloro-3-nitrobenzene
• Wikidata: Q1642234
• Metabolomics Workbench ID: 45119
• ChEMBL ID: CHEMBL1420059
• Mol file: 117-18-0.mol

Synonyms:2,3,5,6-tetrachloronitrobenzene;Fusarex;TCNB;Tecnazene;Tecnazine;tetrachloronitrobenzene

Chemical Property of Tecnazene

Chemical Property:

• Appearance/Colour: beige fine crystalline powder
• Vapor Pressure: 0.00162mmHg at 25°C
• Melting Point: 98-101 °C(lit.)
• Refractive Index: 1.6200 (estimate)
• Boiling Point: 304 °C(lit.)
• Flash Point: 143.1°C
• PSA: 45.82000
• Density: 1.75g/cm³
• LogP: 4.73160
• Storage Temp.: 0-6°C
• Water Solubility.: 2.087mg/L(20 oC)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 260.873189
• Heavy Atom Count: 13
• Complexity: 195

Purity/Quality:

99% ^*data from raw suppliers

1,2,4,5-Tetrachloro-3-nitrobenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-43-50/53
• Safety Statements: 24-37-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Fungicides
• Canonical SMILES: C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)Cl

Technology Process of Tecnazene

There total 13 articles about Tecnazene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

1,2,4,5-tetrachlorobenzene (95-94-3) → 2,3,5,6-Tetrachloronitrobenzene (117-18-0)

Guidance literature:

With methanesulfonic acid; Nitrogen dioxide; ozone; In dichloromethane; at 0 - 5 ℃; for 10h;

DOI:10.1055/s-1994-25586

Reference yield:

1,2,4,5-tetrachlorobenzene (95-94-3) → 2,3,5,6-Tetrachloronitrobenzene (117-18-0) + chloranil (118-75-2)

Guidance literature:

With nitric acid;

Reference yield:

nitrobenzene (98-95-3,26969-40-4) → 2,3,5,6-Tetrachloronitrobenzene (117-18-0)

Guidance literature:

With chlorine; iron(III) chloride;

DOI:10.1007/BF02742465

upstream raw materials:

1,2,4,5-tetrachlorobenzene

nitrobenzene

chlorine

iron(III) chloride

Downstream raw materials:

2,3,5,6-tetrachloro(propoxy)benzene

Refernces

• 1、 Suzuki,Mori,Maeda. "Ozone-mediated reaction of polychlorobenzenes and some related halogeno compounds with nitrogen dioxide: A novel non-acid methodology for the selective mononitration of moderately deactivated aromatic systems". . p. 841 - 845. Retrieved 1994.
• 2、 -. "Pyrazolyl benzyl ether derivatives containing a fluoromethoxyimino group and use thereof as pesticides". . . Retrieved 2008/06/13.
• 3、 -. "Microbicidal benzotriazoles". . . Retrieved 2008/06/13.